4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide

C25H19FN2OS — CID 154811060

IUPAC4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(C2CC2c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2OS/c26-19-13-11-18(12-14-19)23(29)28-25-22(17-9-5-2-6-10-17)27-24(30-25)21-15-20(21)16-7-3-1-4-8-16/h1-14,20-21H,15H2,(H,28,29)
InChIKeyAHYIEDSJPJQDDM-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.47
Rot. Bonds5

About 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide

4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide (PubChem CID 154811060) has the molecular formula C25H19FN2OS and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide
PubChem CID154811060
Molecular FormulaC25H19FN2OS
Molecular Weight414.51 g/mol
Exact Mass414.12
IUPAC Name4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(C2CC2c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2OS/c26-19-13-11-18(12-14-19)23(29)28-25-22(17-9-5-2-6-10-17)27-24(30-25)21-15-20(21)16-7-3-1-4-8-16/h1-14,20-21H,15H2,(H,28,29)
InChIKeyAHYIEDSJPJQDDM-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide (CID 154811060) is 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide is O=C(Nc1sc(C2CC2c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide?
The InChIKey is AHYIEDSJPJQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2OS/c26-19-13-11-18(12-14-19)23(29)28-25-22(17-9-5-2-6-10-17)27-24(30-25)21-15-20(21)16-7-3-1-4-8-16/h1-14,20-21H,15H2,(H,28,29).
What are the key properties of 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide?
4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 154811060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).